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3-Methylsulfonyl-4',5',6'-trichlorobiphenyl
SpectraBase Compound ID EMR41StAVKM
InChI InChI=1S/C13H9Cl3O2S/c1-19(17,18)9-4-2-3-8(7-9)10-5-6-11(14)13(16)12(10)15/h2-7H,1H3
InChIKey DNOSEESBOHKONP-UHFFFAOYSA-N
Mol Weight 335.63 g/mol
Molecular Formula C13H9Cl3O2S
Exact Mass 333.938884 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B48XIEziZuq
Name 3-Methylsulfonyl-4',5',6'-trichlorobiphenyl
Alternate Name(s) 2,3,4-trichloro-3'-(methylsulfonyl)-1,1'-biphenyl Methyl 2',3',4'-trichloro[1,1'-biphenyl]-3-yl sulfone
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Formula C13H9Cl3O2S
InChI InChI=1S/C13H9Cl3O2S/c1-19(17,18)9-4-2-3-8(7-9)10-5-6-11(14)13(16)12(10)15/h2-7H,1H3
InChIKey DNOSEESBOHKONP-UHFFFAOYSA-N
Molecular Weight 335.632 g/mol
SMILES c1(S(=O)(=O)C)cc(-c2c(c(Cl)c(cc2)Cl)Cl)ccc1
SPLASH splash10-00dr-0089000000-3f450449814e2112b82a
Source of Spectrum KO-7-24-2
Wiley ID 1330573